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7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
Descriptor: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
Authors:Papadopoulos, E.
Deposit date:2021-04-07
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
8CTH
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BU of 8cth by Molmil
Cryo-EM structure of human METTL1-WDR4-tRNA(Phe) complex
Descriptor: Phe-tRNA, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(7)-)-methyltransferase, ...
Authors:Li, J, Wang, L, Fontana, P, Hunkeler, M, Roy-Burman, S.S, Wu, H, Fishcer, E.S, Gregory, R.I.
Deposit date:2022-05-14
Release date:2022-12-07
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of regulated m 7 G tRNA modification by METTL1-WDR4.
Nature, 613, 2023
4U7J
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BU of 4u7j by Molmil
Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile
Descriptor: 1,2-ETHANEDIOL, Argininosuccinate synthase, CHLORIDE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-07-30
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile
to be published
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
4WSN
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BU of 4wsn by Molmil
Crystal structure of the COP9 signalosome, a P1 crystal form
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Bunker, R.D, Lingaraju, G.M, Thoma, N.H.
Deposit date:2014-10-28
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Cullin-RING ubiquitin E3 ligase regulation by the COP9 signalosome.
Nature, 531, 2016
6TD3
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BU of 6td3 by Molmil
Structure of DDB1 bound to CR8-engaged CDK12-cyclinK
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H.
Deposit date:2019-11-07
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
7UJ4
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BU of 7uj4 by Molmil
Inhibition of Human Menin by SNDX-5613
Descriptor: 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION
Authors:McKeever, B.M, Kulkarni, S, McGeehan, G.M.
Deposit date:2022-03-30
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:MEN1 mutations mediate clinical resistance to menin inhibition.
Nature, 615, 2023
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Westover, K, Lu, J.
Deposit date:2017-03-23
Release date:2017-08-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
6CTA
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BU of 6cta by Molmil
Structure of the human cGAS-DNA complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), ...
Authors:Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-03-22
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.779 Å)
Cite:Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
6CT9
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BU of 6ct9 by Molmil
Structure of the human cGAS-DNA complex
Descriptor: Cyclic GMP-AMP synthase, DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*GP*A)-3'), DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*T)-3'), ...
Authors:Zhou, W, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Mekalanos, J.J, Kranzusch, P.J.
Deposit date:2018-03-22
Release date:2018-07-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Cell, 174, 2018
7RCT
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BU of 7rct by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550
Descriptor: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 11, {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
Authors:Seegar, T.C.M.
Deposit date:2021-07-08
Release date:2021-09-01
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeted Degradation of the Oncogenic Phosphatase SHP2.
Biochemistry, 60, 2021
8BUM
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BU of 8bum by Molmil
Structure of DDB1 bound to DS15-engaged CDK12-cyclin K
Descriptor: (2R)-2-[[6-(5-naphthalen-1-ylpentylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUA
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BU of 8bua by Molmil
Structure of DDB1 bound to 919278-engaged CDK12-cyclin K
Descriptor: (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide, CITRIC ACID, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.193 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU7
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BU of 8bu7 by Molmil
Structure of DDB1 bound to 21195-engaged CDK12-cyclin K
Descriptor: 1,2-ETHANEDIOL, 1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUR
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BU of 8bur by Molmil
Structure of DDB1 bound to DS50-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUN
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BU of 8bun by Molmil
Structure of DDB1 bound to DS16-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
Descriptor: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU4
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BU of 8bu4 by Molmil
Structure of DDB1 bound to DS22-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUJ
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BU of 8buj by Molmil
Structure of DDB1 bound to DS06-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU1
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BU of 8bu1 by Molmil
Structure of DDB1 bound to DS17-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU2
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BU of 8bu2 by Molmil
Structure of DDB1 bound to DS18-engaged CDK12-cyclin K
Descriptor: Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUI
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BU of 8bui by Molmil
Structure of DDB1 bound to DRF-053-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUO
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BU of 8buo by Molmil
Structure of DDB1 bound to DS24-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

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